3,4-dihydro-6-hydroxy-7-methoxy-2,2-dimethyl-1(2H)-benzopyran

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  • Identifiers

    CAS number
    83923-51-7

    Molecular formula
    C12H16O3

    SMILES
    CC1(CCC2=CC(=C(C=C2O1)OC)O)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 70.56%
    Spicy 60.12%
    Sweet 56.44%
    Woody 52.8%
    Smoky 51.22%
    Vanilla 45.77%
    Balsamic 38.88%
    Powdery 37.94%
    Medicinal 36.76%
    Leathery 32.84%

     

    Flavor
    Bitter 48.16%
    Phenolic 46.84%
    Woody 43.03%
    Spice 38.71%
    Camphor 34.84%
    Smoky 34.62%
    Medicinal 34.31%
    Smoke 30.5%
    Spicy 29.64%
    Bacon 28.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.82 (weak base)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point

    • 129.77 ˚C est.

  • Synonyms

    • 3,4-dihydro-6-hydroxy-7-methoxy-2,2-dimethyl-1(2h)-benzopyran
    • RefChem:486192
    • 893-588-0
    • DIMETHYLMETHOXY CHROMANOL
    • 83923-51-7
    • XBH432G01F
    • 7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
    • UNII-XBH432G01F
    • CR-6
    • LIPOCHROMAN-6
    • 3,4-dihydro-7-methoxy-2,2-dimethyl-2h-1-benzopyran-6-ol
    • SCHEMBL546729
    • CHEMBL4755403
    • SCHEMBL29401664
    • Q27293756
    • 2H-1-Benzopyran-6-ol, 3,4-dihydro-7-methoxy-2,2-dimethyl-
    • 83923-51-7

  • Applications

    3,4-dihydro-6-hydroxy-7-methoxy-2,2-dimethyl-1(2H)-benzopyran (CAS 83923-51-7) is a chromene-like compound commonly considered for fragrance applications and may be used as an odorant or fragrance ingredient in perfumery and personal care products. It may also appear as a fragrance additive in household products. In polymers and plastics, it may serve as a processing aid and as an antioxidant or stabilizer to improve material longevity. In coatings and inks, it can function as a fragrance additive or stabilizer where compatible. It may be evaluated as an intermediate in industrial manufacturing and organic synthesis to prepare more complex fine chemicals, including potential pathways for agrochemical or pharmaceutical intermediate synthesis, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 230.45
    methanol 339.19
    isopropanol 196.68
    water 2.16
    ethyl acetate 305.45
    n-propanol 208.72
    acetone 344.87
    n-butanol 200.36
    acetonitrile 284.68
    DMF 606.74
    toluene 108.96
    isobutanol 154.22
    1,4-dioxane 682.62
    methyl acetate 332.77
    THF 761.06
    2-butanone 278.88
    n-pentanol 110.91
    sec-butanol 142.91
    n-hexane 7.92
    ethylene glycol 120.98
    NMP 314.37
    cyclohexane 24.29
    DMSO 539.65
    n-butyl acetate 174.89
    n-octanol 63.99
    chloroform 657.42
    n-propyl acetate 149.83
    acetic acid 346.15
    dichloromethane 517.55
    cyclohexanone 303.57
    propylene glycol 124.17
    isopropyl acetate 183.2
    DMAc 540.1
    2-ethoxyethanol 306.78
    isopentanol 191.98
    n-heptane 6.75
    ethyl formate 217.11
    1,2-dichloroethane 382.36
    n-hexanol 139.66
    2-methoxyethanol 567.72
    isobutyl acetate 113.38
    tetrachloromethane 88.82
    n-pentyl acetate 97.64
    transcutol 975.69
    n-heptanol 61.26
    ethylbenzene 58.86
    MIBK 142.14
    2-propoxyethanol 341.63
    tert-butanol 346.51
    MTBE 280.03
    2-butoxyethanol 153.16
    propionic acid 195.5
    o-xylene 77.23
    formic acid 207.83
    diethyl ether 246.16
    m-xylene 82.7
    p-xylene 79.56
    chlorobenzene 188.63
    dimethyl carbonate 198.08
    n-octane 3.7
    formamide 308.42
    cyclopentanone 371.04
    2-pentanone 210.88
    anisole 183.8
    cyclopentyl methyl ether 241.73
    gamma-butyrolactone 451.72
    1-methoxy-2-propanol 369.27
    pyridine 294.49
    3-pentanone 179.04
    furfural 444.97
    n-dodecane 4.44
    diethylene glycol 355.99
    diisopropyl ether 70.41
    tert-amyl alcohol 210.63
    acetylacetone 306.5
    n-hexadecane 5.28
    acetophenone 155.0
    methyl propionate 244.53
    isopentyl acetate 168.93
    trichloroethylene 712.17
    n-nonanol 57.11
    cyclohexanol 172.96
    benzyl alcohol 138.38
    2-ethylhexanol 76.16
    isooctanol 52.93
    dipropyl ether 81.62
    1,2-dichlorobenzene 175.44
    ethyl lactate 94.65
    propylene carbonate 271.69
    n-methylformamide 293.97
    2-pentanol 115.34
    n-pentane 8.88
    1-propoxy-2-propanol 181.23
    1-methoxy-2-propyl acetate 216.75
    2-(2-methoxypropoxy) propanol 176.44
    mesitylene 55.62
    ε-caprolactone 285.52
    p-cymene 43.15
    epichlorohydrin 559.65
    1,1,1-trichloroethane 339.26
    2-aminoethanol 165.56
    morpholine-4-carbaldehyde 527.07
    sulfolane 415.81
    2,2,4-trimethylpentane 10.65
    2-methyltetrahydrofuran 388.93
    n-hexyl acetate 149.89
    isooctane 7.91
    2-(2-butoxyethoxy)ethanol 253.15
    sec-butyl acetate 118.17
    tert-butyl acetate 211.05
    decalin 13.46
    glycerin 212.22
    diglyme 497.43
    acrylic acid 206.91
    isopropyl myristate 59.86
    n-butyric acid 236.63
    acetyl acetate 235.72
    di(2-ethylhexyl) phthalate 65.41
    ethyl propionate 147.21
    nitromethane 589.27
    1,2-diethoxyethane 244.07
    benzonitrile 168.73
    trioctyl phosphate 47.15
    1-bromopropane 149.61
    gamma-valerolactone 523.77
    n-decanol 42.82
    triethyl phosphate 81.39
    4-methyl-2-pentanol 84.26
    propionitrile 212.45
    vinylene carbonate 283.05
    1,1,2-trichlorotrifluoroethane 405.74
    DMS 192.63
    cumene 44.29
    2-octanol 41.57
    2-hexanone 131.79
    octyl acetate 75.9
    limonene 57.65
    1,2-dimethoxyethane 502.92
    ethyl orthosilicate 77.25
    tributyl phosphate 66.45
    diacetone alcohol 226.77
    N,N-dimethylaniline 106.1
    acrylonitrile 250.1
    aniline 174.05
    1,3-propanediol 268.34
    bromobenzene 190.01
    dibromomethane 306.28
    1,1,2,2-tetrachloroethane 587.93
    2-methyl-cyclohexyl acetate 107.63
    tetrabutyl urea 75.66
    diisobutyl methanol 50.85
    2-phenylethanol 135.94
    styrene 72.0
    dioctyl adipate 87.89
    dimethyl sulfate 262.32
    ethyl butyrate 114.8
    methyl lactate 152.65
    butyl lactate 92.02
    diethyl carbonate 105.76
    propanediol butyl ether 154.83
    triethyl orthoformate 99.32
    p-tert-butyltoluene 46.3
    methyl 4-tert-butylbenzoate 122.14
    morpholine 628.28
    tert-butylamine 178.27
    n-dodecanol 33.35
    dimethoxymethane 455.04
    ethylene carbonate 256.36
    cyrene 168.83
    2-ethoxyethyl acetate 180.56
    2-ethylhexyl acetate 132.05
    1,2,4-trichlorobenzene 215.52
    4-methylpyridine 301.03
    dibutyl ether 78.96
    2,6-dimethyl-4-heptanol 50.85
    DEF 239.91
    dimethyl isosorbide 292.86
    tetrachloroethylene 360.28
    eugenol 125.65
    triacetin 174.54
    span 80 119.33
    1,4-butanediol 92.19
    1,1-dichloroethane 335.86
    2-methyl-1-pentanol 114.63
    methyl formate 284.33
    2-methyl-1-butanol 154.24
    n-decane 6.98
    butyronitrile 186.4
    3,7-dimethyl-1-octanol 72.86
    1-chlorooctane 37.67
    1-chlorotetradecane 16.58
    n-nonane 5.92
    undecane 5.43
    tert-butylcyclohexane 12.69
    cyclooctane 8.41
    cyclopentanol 166.58
    tetrahydropyran 408.93
    tert-amyl methyl ether 176.16
    2,5,8-trioxanonane 328.56
    1-hexene 34.84
    2-isopropoxyethanol 194.94
    2,2,2-trifluoroethanol 170.63
    methyl butyrate 174.64

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction